N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide

C19H19N3O3 — CID 2839407

IUPACN-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)C3)cc1
InChIInChI=1S/C19H19N3O3/c1-10-7-15(24)18-16(8-10)25-19(21)14(9-20)17(18)12-3-5-13(6-4-12)22-11(2)23/h3-6,10,17H,7-8,21H2,1-2H3,(H,22,23)
InChIKeyVXRLETULDNPZPI-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.71
Rot. Bonds2

About N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide

N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide (PubChem CID 2839407) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide
PubChem CID2839407
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)C3)cc1
InChIInChI=1S/C19H19N3O3/c1-10-7-15(24)18-16(8-10)25-19(21)14(9-20)17(18)12-3-5-13(6-4-12)22-11(2)23/h3-6,10,17H,7-8,21H2,1-2H3,(H,22,23)
InChIKeyVXRLETULDNPZPI-UHFFFAOYSA-N
XLogP2.71
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide (CID 2839407) is N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)C3)cc1.
What is the InChIKey of N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide?
The InChIKey is VXRLETULDNPZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-10-7-15(24)18-16(8-10)25-19(21)14(9-20)17(18)12-3-5-13(6-4-12)22-11(2)23/h3-6,10,17H,7-8,21H2,1-2H3,(H,22,23).
What are the key properties of N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide?
N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-3-cyano-7-methyl-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl]acetamide is sourced from PubChem (CID 2839407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).